Oxalic Acid

Oxalic Acid

SCHEMBL4816262

NCc1ncccn1.O=C(O)C(=O)O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.41
NAPRT Q6XQN6 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
KDM4E B2RXH2 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Acetic Acid SCHEMBL540945 0.88 P2RX7 (0.40) P2RX7NAPRTL3MBTL1LMNAP4HTM
Fumaric Acid SCHEMBL4976045 0.85 KDM4E (0.45) P2RX7LMNAKDM4ETDP1KMT2A
Maleic Acid SCHEMBL4976034 0.85 KDM4E (0.45) P2RX7LMNAKDM4ETDP1KMT2A
SCHEMBL244917 0.84
Hydrochloric Acid SCHEMBL4489525 0.82
Hydrochloric Acid SCHEMBL29899392 0.82 ADRB2 (0.41) P2RX7L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL17275087 0.77 LMNA (0.43) P2RX7L3MBTL1LMNAKDM4ETDP1
Oxalic Acid SCHEMBL9034487 0.77 PTPRA (0.36) P2RX7NAPRTL3MBTL1LMNAP4HTM
Oxalic Acid SCHEMBL9034491 0.77 PTPRA (0.36) P2RX7NAPRTL3MBTL1LMNAP4HTM
Oxalic Acid SCHEMBL11030332 0.73 HRH1 (0.52) LMNAKDM4EKMT2AMEN1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104530015-A Preparation method of avanafil QILU TIANHE PHARMACEUTICAL CO LTD 2015-04-22 CN disclosed
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
EP-1740538-A4 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-12-19 EP disclosed
EP-1740538-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
WO-2005099709-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-27 WO disclosed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 P2RX7 888/4885NAPRT 4322/4885L3MBTL1 3118/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.